mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-1026665
-7.864378
-11.160732
6.049149
other
Na1Mg14W1
16
38
353.27
mp-1026613
-7.192016
-10.920822
5.148703
other
Mg14Ga1Sn1
16
38
362.49
mp-1215242
-5.728583
-3.110469
4.040024
other
Zr2Ti4Al2
8
38
146.13
mp-1023139
-6.066064
-11.052497
5.917255
other
Cs2Ca2Mg12
16
38
490.74
mp-1028304
-7.85819
-10.543553
6.364197
other
Mg14Nb1V1
16
38
344.94
mp-1021678
-7.978631
-10.248994
6.514827
other
Hf2Mg12V2
16
38
341.74
mp-1027954
-7.071364
-11.442736
5.673496
other
Mg14Zn1B1
16
38
337.74
mp-1222938
-8.155587
-4.63605
4.117846
other
La1Ce1Pt2
4
38
98.85
mp-1206391
-7.040282
-4.059651
5.112484
other
Er2Ni1Ge6
9
38
173.49
mp-1220032
-7.503923
-5.485641
3.904039
other
Pr2Fe1Sn4
7
38
180.32
mp-1016359
-6.716774
-11.119899
5.05429
other
Sr2Mg12Bi2
16
38
431.3
mp-1026648
-7.19186
-11.037822
4.737288
other
Mg14Sn1Bi1
16
38
380.02
mp-1016605
-7.882204
-9.701937
6.742779
other
Hf2Mg12Nb2
16
38
345.75
mp-1016643
-7.824512
-11.646452
5.924812
other
Mg12Mo2C2
16
38
284.79
mp-966740
-5.433714
-6.96381
1.605092
original
Cs5Tl11Cd2
18
38
705.1
mp-759105
9.517689
0.93388
-0.374873
other
Ni6O1F11
18
38
204.74
mp-1016666
-7.830574
-11.430885
6.120728
other
Mg12Mo2C2
16
38
338.5
mp-1026599
-7.219636
-10.665285
6.326458
other
Sr1Mg14Nb1
16
38
382.49
mp-1022954
-8.413986
-11.113756
6.05029
other
Mg12Mn2Mo2
16
38
310.45
mp-1026711
-6.958261
-11.4546
5.825469
other
Mg14Si1B1
16
38
340.24
mp-1099320
-7.341952
-10.559849
5.558241
other
La1Mg6Bi1
8
38
213.31
mp-1028396
-6.903895
-11.12426
5.652422
other
K1Mg14Ni1
16
38
371.58
mp-1028046
-7.607992
-10.066421
6.571398
other
La1Y1Mg14
16
38
399.66
mp-1026796
-7.736278
-11.109989
5.860527
other
Li1Mg14Mo1
16
38
344.12
mp-777616
12.701671
0.484185
0.303732
other
Fe10O11F9
30
38
346.72
mp-1227300
-4.014626
-5.466219
5.326131
other
Ca2Ga1Si1
4
38
100.26
mp-1022464
-7.836313
-11.096722
5.663011
other
Mg12Fe2Cu2
16
38
300.36
mp-1099267
-6.627898
-10.706763
6.340837
other
Rb1Y1Mg6
8
38
227.17
mp-1023181
-6.951919
-10.791209
5.803446
other
Ca2Mg12Ga2
16
38
381.97
mp-1022056
-7.210083
-11.443958
4.386598
other
Mg12Cu2Bi2
16
38
353.21
mp-1027963
-7.286247
-10.644946
5.645375
other
Y1Mg14Sb1
16
38
377.14
mp-1225397
-7.823252
-4.403266
5.977829
other
Dy4Al4Ni4
12
38
211.38
mp-1100152
-7.262372
-10.586248
6.554297
other
Ce1Mg6C1
8
38
196.34
mp-1021350
-6.511153
-11.663344
6.124061
other
K2Mg12C2
16
38
384.75
mp-1028213
-7.438099
-10.463345
6.219924
other
Y1Mg14Al1
16
38
369.7
mp-1099326
-7.509401
-10.246562
6.570908
other
Ce1Mg6Si1
8
38
186.27
mp-1017427
-6.728858
-11.617526
5.952358
other
Mg6Si1B1
8
38
151.88
mp-1021303
-7.807121
-9.656142
6.728098
other
Hf2Mg12Ti2
16
38
349.33
mp-1017097
-7.277907
-11.537862
6.286279
other
Cs1Mg6Mo1
8
38
207.22
mp-1216948
-5.065198
-3.543409
5.512522
other
U2Si7Ni2
11
38
171.17
mp-1021156
-7.307578
-10.547768
5.735075
other
La2Mg12Sb2
16
38
413.61
mp-1022090
-6.909023
-11.115443
5.487342
other
Na2Mg12Cu2
16
38
349.08
mp-1021288
-6.62079
-10.626958
6.224717
other
Rb2La2Mg12
16
38
483.03
mp-1021676
-7.633382
-11.259042
4.891864
other
Mg12V2Bi2
16
38
359.29
mp-1099310
-8.532248
-11.42302
6.159713
other
Li1Mg6W1
8
38
160.42
mp-1220017
10.365895
11.611463
2.867339
other
Nd1Nb4O12
17
38
248.04
mp-1017129
-7.072382
-10.538428
3.586006
other
Mg12Bi2Sb2
16
38
393.71
mp-1026589
-7.101353
-11.371743
5.230948
other
Mg14Bi1C1
16
38
368.79
mp-777572
6.292952
13.061152
-2.734583
other
Co10O15F5
30
38
301.13
mp-1022976
-8.048607
-10.972871
5.835712
other
Mg12Mn2V2
16
38
325.2
mp-1016638
-8.552661
-11.332132
6.095245
other
Mg12Cd2W2
16
38
324.51
mp-1022087
-7.670898
-10.107974
6.460109
other
La2Mg12Co2
16
38
369.44
mp-1216791
-7.894222
-3.479007
5.92724
other
Tm4Al4Co4
12
38
205.3
mp-1017099
-6.507799
-11.284914
5.937882
other
Cs2Mg12Cr2
16
38
432.05
mp-1022127
-7.906203
-10.309592
6.425346
other
Hf2Mg12Fe2
16
38
329.31
mp-1225054
-5.527407
-2.177674
-3.454146
other
Fe4Te1Se3
8
38
167.73
mp-1026786
-7.591856
-10.459359
6.299714
other
La1Mg14Cr1
16
38
379.59
mp-1026552
-7.141467
-10.650595
6.269663
other
Sr1Hf1Mg14
16
38
389.72
mp-1016636
-7.842253
-10.842522
5.737207
other
Mg12Cr2Ga2
16
38
328.64
mp-1022980
-8.050419
-10.97422
5.83833
other
Mg12Mn2V2
16
38
325.86
mp-1023147
-7.263267
-9.979453
6.44468
other
Ca2La2Mg12
16
38
438.19
mp-1104951
-9.28124
-1.12651
2.911985
other
Ca2Ni10H1
13
38
166.19
mp-1026660
-7.125876
-10.997636
5.038861
other
Na1Mg14Bi1
16
38
378.66
mp-1022037
-7.889759
-10.406294
6.414997
other
Mg12Nb2Co2
16
38
310.28
mp-1022113
-7.203225
-11.172799
4.886635
other
Mg12Cu2Sn2
16
38
336.95
mp-550117
10.705379
7.759139
2.929767
other
Sm4Se3O4
11
38
211.44
mp-1215392
-6.607733
-3.668301
4.254122
other
Zr5Sc5Ga6
16
38
330.96
mp-1099077
-7.434332
-10.921249
5.349145
other
Mg14Ga1Ni1
16
38
333.47
mp-1224426
-7.923759
-3.477707
4.801126
other
Hf4Al4Ir4
12
38
202.7
mp-1022107
-6.496911
-11.269871
5.830545
other
Ba1Mg6Cu1
8
38
209.84
mp-1023367
-7.687549
-9.834556
6.412498
other
Ce2Mg12Al2
16
38
381.12
mp-1028051
-6.899755
-10.825255
6.238004
other
K1Y1Mg14
16
38
404.26
mp-1023146
-6.895729
-11.116303
5.139083
other
Ca2Mg12Sb2
16
38
397.21
mp-1023313
-7.126631
-11.069745
5.979729
other
Ca2Mg12Fe2
16
38
355.67
mp-1206450
-6.977832
-4.140998
5.162752
other
Lu2Ni1Ge6
9
38
168.57
mp-1017356
-6.818493
-11.382854
5.900838
other
Mg12Si2C2
16
38
293.91
mp-1219330
-6.60854
-0.674881
3.283388
other
Si2Ni6Mo4
12
38
147.08
mp-1022083
-7.181607
-11.352228
4.651182
other
Mg12Cu2Sb2
16
38
336.96
mp-1228329
-5.386459
-6.201675
2.282696
other
Ba2Pt1Au1
4
38
128.14
mp-1027877
-7.833747
-10.882815
5.79679
other
Mg14Cr1Fe1
16
38
325.4
mp-1215920
-4.35648
1.483133
3.251231
other
Y1B2Mo1
4
38
53.74
mp-1099269
-6.787264
-10.574443
6.402639
other
Ba1Y1Mg6
8
38
226.46
mp-1021878
-7.931377
-10.908676
5.722957
other
Mg12Cr2Ni2
16
38
306.25
mp-1026882
-7.176448
-11.205765
5.486437
other
Mg14Cu1Si1
16
38
338.29
mp-1224156
-7.000263
-3.782828
5.481585
other
Ho2Mn1Ge4
7
38
137.64
mp-1099111
-7.595106
-9.951643
6.468424
other
Ce1Mg6Al1
8
38
206.16
mp-1022711
-7.868416
-10.302677
6.369231
other
Mg12Zr2Fe2
16
38
320.91
mp-1016267
-6.25041
-11.315586
5.833772
other
Cs2Mg12Cd2
16
38
466.43
mp-1026623
-6.977277
-10.95849
5.841752
other
Sr1Mg14Ga1
16
38
385.51
mp-1022452
-6.387682
-11.356906
5.75242
other
Cs2Mg12Cu2
16
38
521.34
mp-19741
-2.553712
0.6894
2.34203
other
Ce1Ni1C2
4
38
52.77
mp-1028410
-7.769473
-10.845727
5.696259
other
Mg14Cr1Co1
16
38
326.95
mp-1021366
-6.068555
-11.192143
5.855046
other
K2Rb2Mg12
16
38
504.39
mp-1021302
-6.134701
-11.015292
5.848256
other
K2Sr2Mg12
16
38
483.6
mp-1021779
-7.51127
-11.481452
6.062011
other
Mg6V1B1
8
38
158.32
mp-1026638
-7.46682
-10.588593
5.93962
other
Hf1Mg14Sn1
16
38
360.71
mp-1026632
-6.447318
-11.162405
6.010218
other
Cs1Ba1Mg14
16
38
437.12
mp-1022827
-7.583965
-10.181341
6.517268
other
Y2Mg12Zn2
16
38
371.64
mp-1023275
-7.137622
-10.807326
5.204064
other
Mg12Al2Cd2
16
38
347.8
mp-1027983
-7.850901
-10.919413
5.83273
other
Mg14V1Fe1
16
38
334.49